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JPN

Summary
Name:2-(2,4-DICHLOROPHENOXY)-5-(3-PHENYLPROPYL)PHENOL
Formula:C21 H18 Cl2 O2
Formal charge:0
Formula weight:373.272 Da
Component type:NON-POLYMER

Chemical Identifiers

ProgramVersionName
ACDLabs10.042-(2,4-dichlorophenoxy)-5-(3-phenylpropyl)phenol
OpenEye OEToolkits1.5.02-(2,4-dichlorophenoxy)-5-(3-phenylpropyl)phenol

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs10.04Clc3cc(Cl)ccc3Oc1ccc(cc1O)CCCc2ccccc2
SMILES_CANONICALCACTVS3.341Oc1cc(CCCc2ccccc2)ccc1Oc3ccc(Cl)cc3Cl
SMILESCACTVS3.341Oc1cc(CCCc2ccccc2)ccc1Oc3ccc(Cl)cc3Cl
SMILES_CANONICALOpenEye OEToolkits1.5.0c1ccc(cc1)CCCc2ccc(c(c2)O)Oc3ccc(cc3Cl)Cl
SMILESOpenEye OEToolkits1.5.0c1ccc(cc1)CCCc2ccc(c(c2)O)Oc3ccc(cc3Cl)Cl
InChIInChI1.03InChI=1S/C21H18Cl2O2/c22-17-10-12-20(18(23)14-17)25-21-11-9-16(13-19(21)24)8-4-7-15-5-2-1-3-6-15/h1-3,5-6,9-14,24H,4,7-8H2
InChIKeyInChI1.03MJRPBNSOVIMDHN-UHFFFAOYSA-N

218853

PDB entries from 2024-04-24

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